Self-consistent semirelativistic energy bands of
- 15 February 1985
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 31 (4), 2049-2055
- https://doi.org/10.1103/physrevb.31.2049
Abstract
The energy bands, projected densities of states, and cohesive energy have been calculated self-consistently with use of the semirelativistic pseudopotential for the experimental equilibrium lattice as a function of the W–Si bond length. The cohesive energy and W–Si bond length are in good agreement with experiment. Additionally, we obtain the symmetric phonon frequency.
Keywords
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